N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazino]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[N'-(4-pyrrolidinosulfonylbenzoyl)hydrazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H25N5O6S2 MolecularWeight: 495.5724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N5O6S2/c1-13-11-17(24-31-13)21-19(27)14(2)32-12-18(26)22-23-20(28)15-5-7-16(8-6-15)33(29,30)25-9-3-4-10-25/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,22,26)(H,23,28)(H,21,24,27)